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CHEBI:31571 - ethyl isovalerate

ChEBI IDCHEBI:31571
ChEBI Nameethyl isovalerate
Stars
DefinitionThe fatty acid ethyl ester of isovaleric acid.
Last Modified3 June 2021
DownloadsMolfile
FormulaC7H14O2
Net Charge0
Average Mass130.187
Monoisotopic Mass130.09938
SMILESCCOC(=O)CC(C)C
InChIInChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyPPXUHEORWJQRHJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ethyl isovalerate (CHEBI:31571) has functional parent isovaleric acid (CHEBI:28484)
ethyl isovalerate (CHEBI:31571) has role metabolite (CHEBI:25212)
ethyl isovalerate (CHEBI:31571) is a fatty acid ethyl ester (CHEBI:78206)
ethyl isovalerate (CHEBI:31571) is a olefinic compound (CHEBI:78840)
IUPAC Name 
ethyl 3-methylbutanoate
Synonyms  Source
Ethyl isopentanoateChemIDplus
Ethyl 3-methylbutyrateChemIDplus
Ethyl beta-methylbutyrateChemIDplus
Manual XrefsDatabases
C12290KEGG COMPOUND
HMDB0030028HMDB
Registry NumbersSources
Reaxys:1744677Reaxys
CAS:108-64-5KEGG COMPOUND
CAS:108-64-5ChemIDplus
CAS:108-64-5NIST Chemistry WebBook
Citations